Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LH7N1L
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| Ligand Name |
4-{[(7r)-9-Cyclopentyl-7-Ethenyl-7-Fluoro-5-Methyl-6-Oxo-6,7,8,9-Tetrahydro-5h-Pyrimido[4,5-B][1,4]diazepin-2-Yl]amino}-3-Methoxy-N-(4-Methylpiperazin-1-Yl)benzamide
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| Synonyms |
CHEMBL2392544; 4-{[(7r)-9-Cyclopentyl-7-Ethenyl-7-Fluoro-5-Methyl-6-Oxo-6,7,8,9-Tetrahydro-5h-Pyrimido[4,5-B][1,4]diazepin-2-Yl]amino}-3-Methoxy-N-(4-Methylpiperazin-1-Yl)benzamide; SCHEMBL1675563; BDBM50435728; Q27452105; 1J3
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| Structure |
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Download2D MOL |
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| Formula |
C28H37FN8O3
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| Canonical SMILES |
CN1CCN(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(C=C)F)C5CCCC5)OC
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| InChI |
1S/C28H37FN8O3/c1-5-28(29)18-37(20-8-6-7-9-20)24-22(35(3)26(28)39)17-30-27(32-24)31-21-11-10-19(16-23(21)40-4)25(38)33-36-14-12-34(2)13-15-36/h5,10-11,16-17,20H,1,6-9,12-15,18H2,2-4H3,(H,33,38)(H,30,31,32)/t28-/m1/s1
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| InChIKey |
IVRPFXYSCCXTAK-MUUNZHRXSA-N
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| PubChem Compound ID | ||||
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